CID 54691193

5,5-dibutyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxy-furan-2-one

Structural Information

Molecular Formula
C22H30O3
SMILES
CCCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)CCCC
InChI
InChI=1S/C22H30O3/c1-3-5-14-22(15-6-4-2)20(23)19(21(24)25-22)18(17-12-13-17)16-10-8-7-9-11-16/h7-11,17-18,23H,3-6,12-15H2,1-2H3
InChIKey
XSSFJWGLDZBUGD-UHFFFAOYSA-N
Compound name
5,5-dibutyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.21948 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 178.4
[M+Na]+ 365.20870 185.4
[M-H]- 341.21220 187.7
[M+NH4]+ 360.25330 189.1
[M+K]+ 381.18264 182.0
[M+H-H2O]+ 325.21674 172.2
[M+HCOO]- 387.21768 196.9
[M+CH3COO]- 401.23333 213.2
[M+Na-2H]- 363.19415 178.3
[M]+ 342.21893 184.3
[M]- 342.22003 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.